BioLiP

PDB

BioLiP

PDB CCD ID:

ODZ

Number of entries in BioLiP:

Chemical formula:

C14 H17 N O4

InChI:

InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1

InChIKey:

RSUSHGHDXWZFTH-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
CACTVS 3.385	C[C@@](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
OpenEye OEToolkits 2.0.7	C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O
OpenEye OEToolkits 2.0.7	CC(CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O

Name:

2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).